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Seyed Hossein Jamali
Seyed Hossein Jamali
Process and Energy, TU Delft
Dirección de correo verificada de tudelft.nl
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Finite-size Effects of Binary Mutual Diffusion Coefficients from Molecular Dynamics
SH Jamali, L Wolff, TM Becker, A Bardow, TJH Vlugt, OA Moultos
Journal of Chemical Theory and Computation 14 (5), 2667-2677, 2018
1442018
Finite-size effects of diffusion coefficients computed from molecular dynamics: a review of what we have learned so far
AT Celebi, SH Jamali, A Bardow, TJH Vlugt, OA Moultos
Molecular Simulation 47 (10-11), 831-845, 2021
1032021
OCTP: A Tool for On-the-fly Calculation of Transport Properties of Fluids with the Order-n Algorithm in LAMMPS
SH Jamali, L Wolff, TM Becker, M de Groen, M Ramdin, R Hartkamp, ...
Journal of chemical information and modeling 59 (4), 1290-1294, 2019
742019
Atomistic Understanding of Zeolite Nanosheets for Water Desalination
SH Jamali, TJH Vlugt, LC Lin
The Journal of Physical Chemistry C 121 (21), 11273–11280, 2017
672017
Shear Viscosity Computed from the Finite-Size Effects of Self-Diffusivity in Equilibrium Molecular Dynamics
SH Jamali, R Hartkamp, C Bardas, J Söhl, TJH Vlugt, OA Moultos
Journal of Chemical Theory and Computation 14 (11), 5959-5968, 2018
542018
Generalized form for finite-size corrections in mutual diffusion coefficients of multicomponent mixtures obtained from equilibrium molecular dynamics simulation
SH Jamali, A Bardow, TJH Vlugt, OA Moultos
Journal of chemical theory and computation 16 (6), 3799-3806, 2020
512020
Absorption Refrigeration Cycles with Ammonia–Ionic Liquid Working Pairs Studied by Molecular Simulation
TM Becker, M Wang, A Kabra, SH Jamali, M Ramdin, D Dubbeldam, ...
Industrial & Engineering Chemistry Research 57 (15), 5442-5452, 2018
412018
Solubility of Sulfur Compounds in Commercial Physical Solvents and an Ionic Liquid From Monte Carlo Simulations
SH Jamali, M Ramdin, TM Becker, A Torres-Knoop, D Dubbeldam, ...
Fluid Phase Equilibria 433, 50-55, 2017
332017
Prediction of Composition-dependent Self-diffusion Coefficients in Binary Liquid Mixtures: The Missing Link for Darken-based Models
L Wolff, SH Jamali, TM Becker, OA Moultos, TJH Vlugt, A Bardow
Industrial & Engineering Chemistry Research 57 (43), 14784-14794, 2018
282018
Optimizing Non-bonded Interactions of the OPLS Force Field for Aqueous Solutions of Carbohydrates: How to Capture Both Thermodynamics and Dynamics
SH Jamali, T van Westen, OA Moultos, TJH Vlugt
Journal of Chemical Theory and Computation 14 (12), 6690-6700, 2018
272018
On the validity of the Stokes–Einstein relation for various water force fields
IN Tsimpanogiannis, SH Jamali, IG Economou, TJH Vlugt, OA Moultos
Molecular Physics 118 (9-10), e1702729, 2020
262020
Effect of Truncating Electrostatic Interactions on Predicting Thermodynamic Properties of Water–methanol Systems
A Rahbari, R Hens, SH Jamali, M Ramdin, D Dubbeldam, TJH Vlugt
Molecular Simulation 45 (4-5), 336-350, 2018
182018
Thermodynamic and Transport Properties of Crown-Ethers: Force Field Development and Molecular Simulations
SH Jamali, M Ramdin, TM Becker, SK Rinwa, W Buijs, TJH Vlugt
The Journal of Physical Chemistry B 121 (35), 8367-8376, 2017
182017
Gibbs Ensemble Monte Carlo Simulations of Multicomponent Natural Gas Mixtures
M Ramdin, SH Jamali, TM Becker, TJH Vlugt
Molecular Simulation 44 (5), 377-383, 2018
132018
Computational Modeling of Turbulent Ethanol Spray Flames in a Hot Diluted Coflow
SH Jamali
Delft University of Technology, 2014
122014
Computing Equation of State Parameters of Gases From Monte Carlo Simulations
M Ramdin, TM Becker, SH Jamali, M Wang, TJH Vlugt
Fluid Phase Equilibria 428, 174-181, 2016
112016
CO2 Solubility in Small Carboxylic Acids: Monte Carlo Simulations and PC-SAFT Modeling
M Ramdin, SH Jamali, LJP van den Broeke, W Buijs, TJH Vlugt
Fluid Phase Equilibria 458, 1-8, 2018
92018
Transport Properties of Fluids: Methodology and Force Field Improvement using Molecular Dynamics Simulations
SH Jamali
Delft University of Technology, 2020
32020
Rayleigh-Brillouin Light Scattering Spectra of CO2 from Molecular Dynamics
SH Jamali, M de Groen, OA Moultos, R Hartkamp, TJH Vlugt, W Ubachs, ...
The Journal of Chemical Physics 151 (6), 064201, 2019
32019
Computational Study of Ethanol Flameless Combustion Using FGM and Steady Flamelet
SH Jamali, L Ma, D Roekaerts
3*
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Artículos 1–20